methyl 3-[[(2R)-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[(2R)-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methylcarbamoyl]benzoate Openeye Name: methyl 3-[[(2R)-5-pyrazin-2-yl-2,3-dihydrobenzofuran-2-yl]methylcarbamoyl]benzoate CAS Name: 3-[oxo-[[(2R)-5-(2-pyrazinyl)-2,3-dihydrobenzofuran-2-yl]methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[(2R)-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methylcarbamoyl]benzoate Traditional Name: 3-[[(2R)-5-pyrazin-2-ylcoumaran-2-yl]methylcarbamoyl]benzoic acid methyl ester Formula: C22H19N3O4 MolecularWeight: 389.40396

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NCC2CC3=C(O2)C=CC(=C3)C4=NC=CN=C4

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC[C@H]2CC3=C(O2)C=CC(=C3)C4=NC=CN=C4

InChI

InChI=1S/C22H19N3O4/c1-28-22(27)16-4-2-3-15(10-16)21(26)25-12-18-11-17-9-14(5-6-20(17)29-18)19-13-23-7-8-24-19/h2-10,13,18H,11-12H2,1H3,(H,25,26)/t18-/m1/s1